166d
From Proteopedia
(New page: 200px<br /><applet load="166d" size="450" color="white" frame="true" align="right" spinBox="true" caption="166d, resolution 2.200Å" /> '''DRUG-DNA MINOR GROO...) |
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| - | [[Image:166d.jpg|left|200px]]<br /><applet load="166d" size=" | + | [[Image:166d.jpg|left|200px]]<br /><applet load="166d" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="166d, resolution 2.200Å" /> | caption="166d, resolution 2.200Å" /> | ||
'''DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2'''<br /> | '''DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The crystal structure of the complex of gamma-oxapentamidine and the DNA | + | The crystal structure of the complex of gamma-oxapentamidine and the DNA dodecamer d(CGCGAATTCGCG)2 has been determined to a resolution of 0.22 nm and an R factor of 18.9%. The gamma-oxapentamidine ligand interacts with the dodecamer by classic minor groove binding via interactions within the A+T-rich region of the minor groove. A chain of solvent molecules lies along the mouth of the minor groove on the outside of the bound ligand. The structural details of the complex are discussed and compared with the closely analogous complex with pentamidine bound to the same dodecamer [Edwards, K. J., Jenkins, T. C. & Neidle, S. (1992) Biochemistry 31, 7104-7109]. The amidinium groups of the ligand do not hydrogen bond to bases, but are in close contact with O4' sugar ring atoms. This in part explains the reduced DNA binding affinity of this ligand compared to pentamidine. |
==About this Structure== | ==About this Structure== | ||
| - | 166D is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with PET as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http:// | + | 166D is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=PET:'>PET</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=166D OCA]. |
==Reference== | ==Reference== | ||
Crystal structure of gamma-oxapentamidine complexed with d(CGCGAATTCGCG)2. The effects of drug structural change on DNA minor-groove recognition., Nunn CM, Jenkins TC, Neidle S, Eur J Biochem. 1994 Dec 15;226(3):953-61. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=7813486 7813486] | Crystal structure of gamma-oxapentamidine complexed with d(CGCGAATTCGCG)2. The effects of drug structural change on DNA minor-groove recognition., Nunn CM, Jenkins TC, Neidle S, Eur J Biochem. 1994 Dec 15;226(3):953-61. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=7813486 7813486] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
| - | [[Category: Jenkins, T | + | [[Category: Jenkins, T C.]] |
[[Category: Neidle, S.]] | [[Category: Neidle, S.]] | ||
| - | [[Category: Nunn, C | + | [[Category: Nunn, C M.]] |
[[Category: PET]] | [[Category: PET]] | ||
[[Category: b-dna]] | [[Category: b-dna]] | ||
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[[Category: double helix]] | [[Category: double helix]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 11:38:39 2008'' |
Revision as of 09:38, 21 February 2008
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DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2
Overview
The crystal structure of the complex of gamma-oxapentamidine and the DNA dodecamer d(CGCGAATTCGCG)2 has been determined to a resolution of 0.22 nm and an R factor of 18.9%. The gamma-oxapentamidine ligand interacts with the dodecamer by classic minor groove binding via interactions within the A+T-rich region of the minor groove. A chain of solvent molecules lies along the mouth of the minor groove on the outside of the bound ligand. The structural details of the complex are discussed and compared with the closely analogous complex with pentamidine bound to the same dodecamer [Edwards, K. J., Jenkins, T. C. & Neidle, S. (1992) Biochemistry 31, 7104-7109]. The amidinium groups of the ligand do not hydrogen bond to bases, but are in close contact with O4' sugar ring atoms. This in part explains the reduced DNA binding affinity of this ligand compared to pentamidine.
About this Structure
166D is a Protein complex structure of sequences from [1] with as ligand. Full crystallographic information is available from OCA.
Reference
Crystal structure of gamma-oxapentamidine complexed with d(CGCGAATTCGCG)2. The effects of drug structural change on DNA minor-groove recognition., Nunn CM, Jenkins TC, Neidle S, Eur J Biochem. 1994 Dec 15;226(3):953-61. PMID:7813486
Page seeded by OCA on Thu Feb 21 11:38:39 2008
